SCHEMBL31337191

SCHEMBL31337191

NC(=O)N(c1cccc(C(F)(F)F)c1)c1ccc(Br)cc1-c1nnn[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.41
GRIK1 P39086 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MPO P05164 1/20 0.33
KCNMA1 Q12791 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
PARP1 P09874 1/20 0.31
RXFP1 Q9HBX9 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTSL P07711 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6772436 1.00 GPR35 (0.41) GPR35GRIK1MEN1KMT2AMPO
SCHEMBL30192068 0.91 KCNMA1 (0.36) GPR35KCNMA1
SCHEMBL7211103 0.91 GPR35 (0.36) GPR35MEN1KMT2AHTTSMN1; SMN2
SCHEMBL6776081 0.89 RORC (0.35) GPR35PTGDR2PARP1GAAAHR
SCHEMBL31344596 0.89 RORC (0.35) GPR35PTGDR2PARP1GAAAHR
SCHEMBL6781211 0.89 GPR35 (0.33) GPR35KMT2APARP1
SCHEMBL31337247 0.88 CHEK2 (0.36) GPR35KCNMA1PTGDR2PARP1
SCHEMBL31337135 0.88 GPR35 (0.34) GPR35MEN1KMT2APTGDR2PARP1
SCHEMBL6782022 0.88 GPR35 (0.34) GPR35MEN1KMT2APTGDR2PARP1
SCHEMBL6775914 0.87 KIF11 (0.37) PTGDR2PARP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119548494-A Combination therapy for cancer 斯坎丁肿瘤公司 2025-03-04 CN disclosed
CN-119548493-A Combination therapy for cancer 斯坎丁肿瘤公司 2025-03-04 CN disclosed